AN-201 II
| Internal ID | e507bf9f-a85f-4c45-9074-3a6373618153 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Glycosylamines |
| IUPAC Name | [(2R,3S,4R,5R,6R)-6-[[(3aS,7R,7aR)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20+,21+,25-,26-,27+,28+,29+,31+/m0/s1 |
| InChI Key | WPMGFKKSCCXUAK-OGKSXYEFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H60N12O11 |
| Molecular Weight | 800.90 g/mol |
| Exact Mass | 800.45045078 g/mol |
| Topological Polar Surface Area (TPSA) | 382.00 Ų |
| XlogP | -7.60 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.79% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.37% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.42% | 96.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.90% | 97.79% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.61% | 90.08% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 94.48% | 98.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.45% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.48% | 89.34% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 91.43% | 98.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 91.38% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.37% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.96% | 94.73% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 88.82% | 96.28% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.60% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.13% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.11% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.06% | 94.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.06% | 93.10% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.87% | 85.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.79% | 94.33% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 85.63% | 97.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.54% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.08% | 95.50% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.87% | 92.32% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 83.41% | 82.86% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.32% | 98.59% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.20% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.58% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.15% | 97.06% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.87% | 88.56% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.48% | 96.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.34% | 95.64% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139589041 |
| LOTUS | LTS0234485 |
| wikiData | Q105310029 |